(2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

C11H20F3NO — CID 95633286

IUPAC(2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESC[C@@](CO)(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NO/c1-10(8-16,15-7-11(12,13)14)9-5-3-2-4-6-9/h9,15-16H,2-8H2,1H3/t10-/m0/s1
InChIKeyGRSQSJYUSFJGHP-JTQLQIEISA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

(2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 95633286) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID95633286
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name(2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESC[C@@](CO)(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NO/c1-10(8-16,15-7-11(12,13)14)9-5-3-2-4-6-9/h9,15-16H,2-8H2,1H3/t10-/m0/s1
InChIKeyGRSQSJYUSFJGHP-JTQLQIEISA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (CID 95633286) is (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is C[C@@](CO)(NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is GRSQSJYUSFJGHP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(8-16,15-7-11(12,13)14)9-5-3-2-4-6-9/h9,15-16H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
(2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 95633286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).